3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one

C7H11N3O2 — CID 94830616

IUPAC3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one
SMILESCN(CCO)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O2/c1-10(4-5-11)6-2-3-7(12)9-8-6/h2-3,11H,4-5H2,1H3,(H,9,12)
InChIKeyWKZREPPOILCGMW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.80
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one

3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one (PubChem CID 94830616) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one
PubChem CID94830616
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one
SMILESCN(CCO)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O2/c1-10(4-5-11)6-2-3-7(12)9-8-6/h2-3,11H,4-5H2,1H3,(H,9,12)
InChIKeyWKZREPPOILCGMW-UHFFFAOYSA-N
XLogP-0.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one (CID 94830616) is 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one is CN(CCO)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one?
The InChIKey is WKZREPPOILCGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(4-5-11)6-2-3-7(12)9-8-6/h2-3,11H,4-5H2,1H3,(H,9,12).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one?
3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 94830616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).